Lateral interactions between oxygen atoms adsorbed on platinum (111) by first principles

Molecular Physics

Volumn 102, Issue 3 PART II, 2004, Pages 273-279

  Tang, Hairong ^a   Van Der Ven, Anton ^a   Trout, Bernhardt L ^a  

^a Massachusetts Institute of Technology Cambridge   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; COMPUTATIONAL METHODS; COMPUTER SIMULATION; CRYSTAL LATTICES; DESORPTION; DIFFUSION; LOW ENERGY ELECTRON DIFFRACTION; OXYGEN; PHASE DIAGRAMS; PHASE TRANSITIONS; POLYNOMIALS; PROBABILITY DENSITY FUNCTION; SCANNING TUNNELING MICROSCOPY;

DENSITY FUNCTIONAL THEORY (DFT); DISCRETE OCCUPATIONAL VARIABLES; EFFECTIVE CLUSTER INTERACTIONS (ECI); LATERAL INTERACTIONS;

PLATINUM;

EID: 3042723512     PISSN: 00268976     EISSN: None     Source Type: Journal    
DOI: 10.1080/0026897042000178088     Document Type: Article

References (20)

1. TROST, J., ZAMBELLI, T., WINTTERLIN, J., and ETRL, G., 1996, Phys. Rev. B, 54, 17850.
2. ÖSTERLUND, L., PEDERSEN, M. Ø., STENSGAARD, I., LÆGSGAARD, E., and BESENBACHER, F., 1999, Phys. Rev. Lett., 83, 4812.
3. SCHWENNICK.E, C., and PFNÜR, H., 1997, Phys. Rev. B, 56, 10558.
4. STAMPFL, C., KREUZER, H. J., PAYNE, S. H., PFNÜR, H., and SCHEFFLER, M., 1999, Phys. Rev. Lett., 83, 2993.
5. VANDER VEN, A., AYDINOL, M. K., CEDER,G., KRESSE, G., and HAFNER, J., 1998, Phys. Rev. B, 58, 2975.
6. BOGICEVIC, A., STRÖMQUIST, J., and LUNDQVIST, B. I., 1998, Phys. Rev. B, 57, R4289.
7. STIPE, B. C., REZAEI, M. A., and HO, W., 1997, J. chem. Phys., 107, 6443.
8. WINTTERLIN, J., SCHUSTER, R., and ERTL, G., 1996, Phys. Rev. Lett., 77, 123.
9. LIN, X., HASS, K. C., SCHNEIDER, W. F., and TROUT, B. L., 2002, J. phys. Chem. B, 106, 12575.
10. TAYLOR, K. C., ANDERSON, J. R., and BOUDART, M., 1984, Catalysis Sci. Technol., 5, 119.
11. http://www.fysik.dtu.dk/CAMP/dacapo.html.
12. VANDERBILT, D., 1990, Phys. Rev. B, 41, 7892.
13. LAASONEN, K., PASQUARELLO, A., CAR, R., LEE, C., and VANDERBILT, D., 1993, Phys. Rev. B, 47, 10142.
14. PERDEW, J. P., CHEVARY, J. A., VOSKO, S. H., JACKSON, K. A., PEDERSON, M. R., SINGH, D. J., and FIOLHAIS, C., 1992, Phys. Rev. B, 46, 6671.
15. MONKHORST, H. J., and PACK, J. D., 1976, Phys. Rev. B, 13, 5188.
16. LIN, X., RAMER, N. J., RAPPE, A. M., HASS, K. C., SCHNEIDER, W. F., and TROUT, B. L., 2001, J. phys. Chem. B, 105, 7739.
17. SANCHEZ, J. M., DUCASTELLE, F., and GRATIAS, D., 1984, Physica A, 128, 334.
18. INDEN, G., and PITSCH, W., 1991, Materials Science and Technology, Vol. 5, Phase Transformations in Materials, edited by P. Haasen (Weinheim: Verlag Chemie), pp. 497-552.
19. TANG, H., VAN DER VEN, A. F., and TROUT, B. L., 2003, Phys. Rev. B, submitted.
20. LYNCH, M., and HU, P., 2000, Surf. Sci., 488, 1.